data_AVS_bmrb_pdb_report_5886 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5886 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability 5886 1 1 1 1 153 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5886 1 1 1 1 229 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5886 1 1 1 1 230 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5886 1 1 1 1 341 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr 5886 1 1 1 1 153 LYS C 168.99 M 176.46 2.05 2.6854e-04 5886 1 1 1 1 153 LYS CA 53.49 . 56.84 2.25 1.3652e-01 5886 1 1 1 1 153 LYS H 9.52 . 8.22 0.64 4.2230e-02 5886 1 1 1 1 153 LYS N 119.67 . 121.16 4.11 7.1696e-01 5886 1 1 1 1 229 ALA C 168.20 M 177.8 2.18 1.0643e-05 5886 1 1 1 1 229 ALA CA 52.23 . 53.16 2.06 6.5166e-01 5886 1 1 1 1 229 ALA H 8.99 . 8.2 0.6 1.8795e-01 5886 1 1 1 1 229 ALA N 129.43 . 123.23 3.7 9.3802e-02 5886 1 1 1 1 230 LEU C 168.47 M 176.97 2.09 4.7625e-05 5886 1 1 1 1 230 LEU CA 50.92 . 55.65 2.21 3.2333e-02 5886 1 1 1 1 230 LEU H 8.76 . 8.22 0.65 4.0610e-01 5886 1 1 1 1 230 LEU N 129.04 . 121.98 4.07 8.2804e-02 5886 1 1 1 1 341 TYR C 168.78 M 175.39 1.89 4.6990e-04 5886 1 1 1 1 341 TYR CA 50.90 . 58.02 2.64 6.9974e-03 5886 1 1 1 1 341 TYR H 6.09 . 8.37 0.75 2.3658e-03 5886 1 1 1 1 341 TYR N 122.09 . 120.79 4.69 7.8164e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score 5886 1 1 1 1 153 LYS ASN 0.24 5886 1 1 1 1 153 LYS ALA 0.21 5886 1 1 1 1 153 LYS ASP 0.15 5886 1 1 1 1 153 LYS LEU 0.08 5886 1 1 1 1 153 LYS MET 0.06 5886 1 1 1 1 153 LYS HIS 0.05 5886 1 1 1 1 153 LYS GLN 0.03 5886 1 1 1 1 153 LYS ARG 0.03 5886 1 1 1 1 153 LYS LYS 0.03 5886 1 1 1 1 153 LYS TYR 0.02 5886 1 1 1 1 153 LYS PHE 0.02 5886 1 1 1 1 153 LYS GLU 0.01 5886 1 1 1 1 229 ALA ALA 0.31 5886 1 1 1 1 229 ALA ASN 0.26 5886 1 1 1 1 229 ALA ASP 0.13 5886 1 1 1 1 229 ALA LEU 0.05 5886 1 1 1 1 229 ALA MET 0.04 5886 1 1 1 1 229 ALA HIS 0.04 5886 1 1 1 1 229 ALA PRO 0.02 5886 1 1 1 1 229 ALA ARG 0.02 5886 1 1 1 1 229 ALA GLN 0.02 5886 1 1 1 1 229 ALA LYS 0.01 5886 1 1 1 1 229 ALA TYR 0.01 5886 1 1 1 1 229 ALA PHE 0.01 5886 1 1 1 1 230 LEU PRO 0.43 5886 1 1 1 1 230 LEU ALA 0.22 5886 1 1 1 1 230 LEU ASN 0.15 5886 1 1 1 1 230 LEU ASP 0.07 5886 1 1 1 1 230 LEU LEU 0.02 5886 1 1 1 1 230 LEU MET 0.02 5886 1 1 1 1 230 LEU HIS 0.01 5886 1 1 1 1 230 LEU ARG 0.01 5886 1 1 1 1 341 TYR PRO 0.44 5886 1 1 1 1 341 TYR ALA 0.22 5886 1 1 1 1 341 TYR ASN 0.15 5886 1 1 1 1 341 TYR ASP 0.06 5886 1 1 1 1 341 TYR LEU 0.02 5886 1 1 1 1 341 TYR MET 0.02 5886 1 1 1 1 341 TYR HIS 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5886 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 5886 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 5886 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5886 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5886 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_